N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine

C13H17FN4O — CID 105391771

IUPACN-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2cnn(CC)c2)c1F
InChIInChI=1S/C13H17FN4O/c1-3-15-7-10-5-6-16-13(12(10)14)19-11-8-17-18(4-2)9-11/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyFNPVAUSFNJCHLF-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.34
Rot. Bonds6

About N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine

N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine (PubChem CID 105391771) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine
PubChem CID105391771
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC NameN-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(Oc2cnn(CC)c2)c1F
InChIInChI=1S/C13H17FN4O/c1-3-15-7-10-5-6-16-13(12(10)14)19-11-8-17-18(4-2)9-11/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyFNPVAUSFNJCHLF-UHFFFAOYSA-N
XLogP2.34
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3,4-dimethylphenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391166
N-[[3-fluoro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391100
N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391179
N-[[2-(3-bromo-4-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391727
N-[[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391447
N-[[3-fluoro-2-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391185
3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine
CID 106878112
N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine
CID 105390746
N-[[2-(2,3-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391049
N-[[3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 105391780
2-(1-ethylpyrazol-4-yl)oxy-5-fluoropyridine-3-carboxylic acid
CID 114034149
N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 116802161

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine (CID 105391771) is N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(Oc2cnn(CC)c2)c1F.
What is the InChIKey of N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine?
The InChIKey is FNPVAUSFNJCHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-3-15-7-10-5-6-16-13(12(10)14)19-11-8-17-18(4-2)9-11/h5-6,8-9,15H,3-4,7H2,1-2H3.
What are the key properties of N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine?
N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine has a molecular weight of 264.30 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105391771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).